(4R)-7-(3-cyanophenyl)-4-methyl-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide

C21H19N7O — CID 118124808

IUPAC(4R)-7-(3-cyanophenyl)-4-methyl-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
SMILESC[C@@H]1CCNc2ccc(-c3cccc(C#N)c3)nc2N1C(=O)Nc1cnccn1
InChIInChI=1S/C21H19N7O/c1-14-7-8-24-18-6-5-17(16-4-2-3-15(11-16)12-22)26-20(18)28(14)21(29)27-19-13-23-9-10-25-19/h2-6,9-11,13-14,24H,7-8H2,1H3,(H,25,27,29)/t14-/m1/s1
InChIKeyARPDMYUDHUEJMI-CQSZACIVSA-N
MW385.43 g/mol
LogP3.65
Rot. Bonds2

About (4R)-7-(3-cyanophenyl)-4-methyl-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide

(4R)-7-(3-cyanophenyl)-4-methyl-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide (PubChem CID 118124808) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is (4R)-7-(3-cyanophenyl)-4-methyl-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide.

Molecular Properties

Compound Name(4R)-7-(3-cyanophenyl)-4-methyl-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
PubChem CID118124808
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC Name(4R)-7-(3-cyanophenyl)-4-methyl-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
SMILESC[C@@H]1CCNc2ccc(-c3cccc(C#N)c3)nc2N1C(=O)Nc1cnccn1
InChIInChI=1S/C21H19N7O/c1-14-7-8-24-18-6-5-17(16-4-2-3-15(11-16)12-22)26-20(18)28(14)21(29)27-19-13-23-9-10-25-19/h2-6,9-11,13-14,24H,7-8H2,1H3,(H,25,27,29)/t14-/m1/s1
InChIKeyARPDMYUDHUEJMI-CQSZACIVSA-N
XLogP3.65
TPSA106.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-7-(3-cyanophenyl)-4-methyl-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide?
The IUPAC name of (4R)-7-(3-cyanophenyl)-4-methyl-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide (CID 118124808) is (4R)-7-(3-cyanophenyl)-4-methyl-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide.
What is the SMILES notation for (4R)-7-(3-cyanophenyl)-4-methyl-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide?
The canonical SMILES for (4R)-7-(3-cyanophenyl)-4-methyl-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide is C[C@@H]1CCNc2ccc(-c3cccc(C#N)c3)nc2N1C(=O)Nc1cnccn1.
What is the InChIKey of (4R)-7-(3-cyanophenyl)-4-methyl-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide?
The InChIKey is ARPDMYUDHUEJMI-CQSZACIVSA-N. The full InChI is InChI=1S/C21H19N7O/c1-14-7-8-24-18-6-5-17(16-4-2-3-15(11-16)12-22)26-20(18)28(14)21(29)27-19-13-23-9-10-25-19/h2-6,9-11,13-14,24H,7-8H2,1H3,(H,25,27,29)/t14-/m1/s1.
What are the key properties of (4R)-7-(3-cyanophenyl)-4-methyl-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide?
(4R)-7-(3-cyanophenyl)-4-methyl-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-(3-cyanophenyl)-4-methyl-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide is sourced from PubChem (CID 118124808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).